2-[4-(aminomethyl)phenyl]-N-(2,4-dimethylphenyl)acetamide

C17H20N2O — CID 63590839

IUPAC2-[4-(aminomethyl)phenyl]-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cc2ccc(CN)cc2)c(C)c1
InChIInChI=1S/C17H20N2O/c1-12-3-8-16(13(2)9-12)19-17(20)10-14-4-6-15(11-18)7-5-14/h3-9H,10-11,18H2,1-2H3,(H,19,20)
InChIKeyMFWWGORSPFDKID-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.94
Rot. Bonds4

About 2-[4-(aminomethyl)phenyl]-N-(2,4-dimethylphenyl)acetamide

2-[4-(aminomethyl)phenyl]-N-(2,4-dimethylphenyl)acetamide (PubChem CID 63590839) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenyl]-N-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenyl]-N-(2,4-dimethylphenyl)acetamide
PubChem CID63590839
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name2-[4-(aminomethyl)phenyl]-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cc2ccc(CN)cc2)c(C)c1
InChIInChI=1S/C17H20N2O/c1-12-3-8-16(13(2)9-12)19-17(20)10-14-4-6-15(11-18)7-5-14/h3-9H,10-11,18H2,1-2H3,(H,19,20)
InChIKeyMFWWGORSPFDKID-UHFFFAOYSA-N
XLogP2.94
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-N-(2,4-dimethylphenyl)acetamide
CID 2600129
3-amino-N-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 50944164
N-(2,5-dimethylphenyl)-2-(4-methylphenyl)acetamide
CID 889351
N-[4-(aminomethyl)phenyl]-2-(4-methylphenyl)acetamide
CID 43152378
2-[4-(aminomethyl)phenyl]-N-(3-methylphenyl)acetamide
CID 63590654
N-(4-methoxy-2-methylphenyl)-2-(4-methylphenyl)acetamide
CID 17087411
N-(2,4-dimethylphenyl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 110857186
N-(2,4-dimethylphenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 100787996
N-(2,4-dimethylphenyl)-2-(1,3-oxazol-4-yl)acetamide
CID 110686330
methyl 2-[4-[2-(2,4-dimethylanilino)-2-oxoethoxy]phenyl]acetate
CID 7695217
N-(2,5-dimethylphenyl)-2-(4-sulfanylphenyl)acetamide
CID 107020877
N,N'-bis(2,4-dimethylphenyl)oxamide
CID 3416969

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenyl]-N-(2,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)phenyl]-N-(2,4-dimethylphenyl)acetamide (CID 63590839) is 2-[4-(aminomethyl)phenyl]-N-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)phenyl]-N-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)phenyl]-N-(2,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)Cc2ccc(CN)cc2)c(C)c1.
What is the InChIKey of 2-[4-(aminomethyl)phenyl]-N-(2,4-dimethylphenyl)acetamide?
The InChIKey is MFWWGORSPFDKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12-3-8-16(13(2)9-12)19-17(20)10-14-4-6-15(11-18)7-5-14/h3-9H,10-11,18H2,1-2H3,(H,19,20).
What are the key properties of 2-[4-(aminomethyl)phenyl]-N-(2,4-dimethylphenyl)acetamide?
2-[4-(aminomethyl)phenyl]-N-(2,4-dimethylphenyl)acetamide has a molecular weight of 268.36 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenyl]-N-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 63590839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).